SCHEMBL2163603

SCHEMBL2163603

Cc1noc(C)c1C(=O)N1CCN(c2c(C(C)N)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 6/20 0.49
TSHR P16473 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.47
ALDH1A1 P00352 8/20 0.45
HSD17B10 Q99714 6/20 0.44
HPGD P15428 4/20 0.44
CYP2C19 P33261 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 3/20 0.43
MAPT P10636 1/20 0.43
HIF1A Q16665 1/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2164787 0.86 ALDH1A1 (0.52) KDM4ETSHRMEN1KMT2APOLB
SCHEMBL2163199 0.85 KDM4E (0.56) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2013342 0.84 KDM4E (0.52) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2163929 0.84 KDM4E (0.43) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2163317 0.83 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2163930 0.83 NPY2R (0.44) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL2014858 0.82 KDM4E (0.55) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2164050 0.82 L3MBTL1 (0.48) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL2017181 0.81 L3MBTL1 (0.44) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2164743 0.80 KMT2A (0.52) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 KDM4E 1058/4885SMN1; SMN2 4640/4885TSHR 1701/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.